2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid

C16H32N2O2 — CID 64704032

IUPAC2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
SMILESCCCC1CCCN(C(C)CC(C)(NC)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-5-7-14-8-6-10-18(11-9-14)13(2)12-16(3,17-4)15(19)20/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyUDTNQXXXMUGEET-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid

2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid (PubChem CID 64704032) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
PubChem CID64704032
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
SMILESCCCC1CCCN(C(C)CC(C)(NC)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-5-7-14-8-6-10-18(11-9-14)13(2)12-16(3,17-4)15(19)20/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyUDTNQXXXMUGEET-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 64703620
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
CID 64702739
2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 113419338
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 62439844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid (CID 64704032) is 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid is CCCC1CCCN(C(C)CC(C)(NC)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid?
The InChIKey is UDTNQXXXMUGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-7-14-8-6-10-18(11-9-14)13(2)12-16(3,17-4)15(19)20/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid?
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid is sourced from PubChem (CID 64704032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).